UCSF

ZINC06578005

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.72 6.19 -53.87 1 9 -1 125 431.446 6
Hi High (pH 8-9.5) 0.72 6.21 -98.06 0 9 -2 127 430.438 6
Lo Low (pH 4.5-6) 0.72 4.22 -18.31 2 9 0 122 432.454 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )